tert-butyl N,N-bis[(3S)-4,4-diphenyl-3-pyrrol-1-yl-butyl]carbamate

Systemtic Name: tert-butyl N,N-bis[(3S)-4,4-diphenyl-3-pyrrol-1-yl-butyl]carbamate Openeye Name: tert-butyl N,N-bis[(3S)-4,4-diphenyl-3-pyrrol-1-yl-butyl]carbamate CAS Name: N,N-bis[(3S)-4,4-diphenyl-3-(1-pyrrolyl)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N,N-bis[(3S)-4,4-diphenyl-3-pyrrol-1-ylbutyl]carbamate Traditional Name: N,N-bis[(3S)-4,4-diphenyl-3-pyrrol-1-yl-butyl]carbamic acid tert-butyl ester Formula: C45H49N3O2 MolecularWeight: 663.88946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC(C(C1=CC=CC=C1)C2=CC=CC=C2)N3C=CC=C3)CCC(C(C4=CC=CC=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N(CC[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)N3C=CC=C3)CC[C@@H](C(C4=CC=CC=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C45H49N3O2/c1-45(2,3)50-44(49)48(34-28-40(46-30-16-17-31-46)42(36-20-8-4-9-21-36)37-22-10-5-11-23-37)35-29-41(47-32-18-19-33-47)43(38-24-12-6-13-25-38)39-26-14-7-15-27-39/h4-27,30-33,40-43H,28-29,34-35H2,1-3H3/t40-,41-/m0/s1